2,5-dimethyl-3-methylsulfanylpyridine

C8H11NS — CID 59938108

IUPAC2,5-dimethyl-3-methylsulfanylpyridine
SMILESCSc1cc(C)cnc1C
InChIInChI=1S/C8H11NS/c1-6-4-8(10-3)7(2)9-5-6/h4-5H,1-3H3
InChIKeyOYNFLBDUSVWJOB-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.42
Rot. Bonds1

About 2,5-dimethyl-3-methylsulfanylpyridine

2,5-dimethyl-3-methylsulfanylpyridine (PubChem CID 59938108) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfanylpyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfanylpyridine
PubChem CID59938108
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2,5-dimethyl-3-methylsulfanylpyridine
SMILESCSc1cc(C)cnc1C
InChIInChI=1S/C8H11NS/c1-6-4-8(10-3)7(2)9-5-6/h4-5H,1-3H3
InChIKeyOYNFLBDUSVWJOB-UHFFFAOYSA-N
XLogP2.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfanylpyridine?
The IUPAC name of 2,5-dimethyl-3-methylsulfanylpyridine (CID 59938108) is 2,5-dimethyl-3-methylsulfanylpyridine.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfanylpyridine?
The canonical SMILES for 2,5-dimethyl-3-methylsulfanylpyridine is CSc1cc(C)cnc1C.
What is the InChIKey of 2,5-dimethyl-3-methylsulfanylpyridine?
The InChIKey is OYNFLBDUSVWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-4-8(10-3)7(2)9-5-6/h4-5H,1-3H3.
What are the key properties of 2,5-dimethyl-3-methylsulfanylpyridine?
2,5-dimethyl-3-methylsulfanylpyridine has a molecular weight of 153.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfanylpyridine is sourced from PubChem (CID 59938108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).